2-diethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene

C7H10F5O3P — CID 12757471

IUPAC2-diethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene
SMILESCCOP(=O)(OCC)C(=C(F)F)C(F)(F)F
InChIInChI=1S/C7H10F5O3P/c1-3-14-16(13,15-4-2)5(6(8)9)7(10,11)12/h3-4H2,1-2H3
InChIKeyLQXJKTIACUSKSH-UHFFFAOYSA-N
MW268.12 g/mol
LogP3.92
Rot. Bonds5

About 2-diethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene

2-diethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene (PubChem CID 12757471) has the molecular formula C7H10F5O3P and a molecular weight of 268.12 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene
PubChem CID12757471
Molecular FormulaC7H10F5O3P
Molecular Weight268.12 g/mol
Exact Mass268.03
IUPAC Name2-diethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene
SMILESCCOP(=O)(OCC)C(=C(F)F)C(F)(F)F
InChIInChI=1S/C7H10F5O3P/c1-3-14-16(13,15-4-2)5(6(8)9)7(10,11)12/h3-4H2,1-2H3
InChIKeyLQXJKTIACUSKSH-UHFFFAOYSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-diethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene?
The IUPAC name of 2-diethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene (CID 12757471) is 2-diethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene.
What is the SMILES notation for 2-diethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene?
The canonical SMILES for 2-diethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene is CCOP(=O)(OCC)C(=C(F)F)C(F)(F)F.
What is the InChIKey of 2-diethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene?
The InChIKey is LQXJKTIACUSKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5O3P/c1-3-14-16(13,15-4-2)5(6(8)9)7(10,11)12/h3-4H2,1-2H3.
What are the key properties of 2-diethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene?
2-diethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene has a molecular weight of 268.12 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene is sourced from PubChem (CID 12757471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).